Accelerating Cryptic Pocket Discovery Using AlphaFold

por Meller, Artur, Bhakat, Soumendranath, Solieva, Shahlo, Bowman, Gregory R.
Publicado 2023

New Copper Alloys Used to Make Products Intended for Contact with Drinking Water

por Chruściński, Michał, Szkudelski, Szymon, Borowski, Jacek, Meller, Artur, Suszyński, Marcin
Publicado 2021

Conformational distributions of isolated myosin motor domains encode their mechanochemical properties

por Porter, Justin R, Meller, Artur, Zimmerman, Maxwell I, Greenberg, Michael J, Bowman, Gregory R
Publicado 2020

Deep learning the structural determinants of protein biochemical properties by comparing structural ensembles with DiffNets

por Ward, Michael D., Zimmerman, Maxwell I., Meller, Artur, Chung, Moses, Swamidass, S. J., Bowman, Gregory R.
Publicado 2021

Discovery of a cryptic pocket in the AI-predicted structure of PPM1D phosphatase explains the binding site and potency of its allosteric inhibitors

por Meller, Artur, de Oliveira, Saulo, Davtyan, Aram, Abramyan, Tigran, Bowman, Gregory R., van den Bedem, Henry
Publicado 2023

Discovery of a cryptic pocket in the AI-predicted structure of PPM1D phosphatase explains the binding site and potency of its allosteric inhibitors

por Meller, Artur, De Oliveira, Saulo, Davtyan, Aram, Abramyan, Tigran, Bowman, Gregory R., van den Bedem, Henry
Publicado 2023

Predicting locations of cryptic pockets from single protein structures using the PocketMiner graph neural network

por Meller, Artur, Ward, Michael, Borowsky, Jonathan, Kshirsagar, Meghana, Lotthammer, Jeffrey M., Oviedo, Felipe, Ferres, Juan Lavista, Bowman, Gregory R.
Publicado 2023

Homologous mutations in [Formula: see text] , embryonic, and perinatal muscle myosins have divergent effects on molecular power generation

por Liu, Chao, Karabina, Anastasia, Meller, Artur, Bhattacharjee, Ayan, Agostino, Colby J, Bowman, Greg R, Ruppel, Kathleen M, Spudich, James A, Leinwand, Leslie A
Publicado 2023

Divergent Molecular Phenotypes in Point Mutations at the Same Residue in Beta-Myosin Heavy Chain Lead to Distinct Cardiomyopathies

por Lehman, Sarah J., Meller, Artur, Solieva, Shahlo O., Lotthammer, Jeffrey M., Greenberg, Lina, Langer, Stephen J., Greenberg, Michael J., Tardiff, Jil C., Bowman, Gregory R., Leinwand, Leslie
Publicado 2023

Drug specificity and affinity are encoded in the probability of cryptic pocket opening in myosin motor domains

por Meller, Artur, Lotthammer, Jeffrey M, Smith, Louis G, Novak, Borna, Lee, Lindsey A, Kuhn, Catherine C, Greenberg, Lina, Leinwand, Leslie A, Greenberg, Michael J, Bowman, Gregory R
Publicado 2023

Functional divergence of the sarcomeric myosin, MYH7b, supports species-specific biological roles

por Lee, Lindsey A., Barrick, Samantha K., Meller, Artur, Walklate, Jonathan, Lotthammer, Jeffrey M., Tay, Jian Wei, Stump, W. Tom, Bowman, Gregory, Geeves, Michael A., Greenberg, Michael J., Leinwand, Leslie A.
Publicado 2022

Left hemisphere structural connectivity abnormality in pediatric hydrocephalus patients following surgery

por Yuan, Weihong, Meller, Artur, Shimony, Joshua S., Nash, Tiffany, Jones, Blaise V., Holland, Scott K., Altaye, Mekibib, Barnard, Holly, Phillips, Jannel, Powell, Stephanie, McKinstry, Robert C., Limbrick, David D., Rajagopal, Akila, Mangano, Francesco T.
Publicado 2016

SARS-CoV-2 Simulations Go Exascale to Capture Spike Opening and Reveal Cryptic Pockets Across the Proteome

por Zimmerman, Maxwell I., Porter, Justin R., Ward, Michael D., Singh, Sukrit, Vithani, Neha, Meller, Artur, Mallimadugula, Upasana L., Kuhn, Catherine E., Borowsky, Jonathan H., Wiewiora, Rafal P., Hurley, Matthew F. D., Harbison, Aoife M, Fogarty, Carl A, Coffland, Joseph E., Fadda, Elisa, Voelz, Vincent A., Chodera, John D., Bowman, Gregory R.
Publicado 2020

SARS-CoV-2 Simulations Go Exascale to Capture Spike Opening and Reveal Cryptic Pockets Across the Proteome

por Zimmerman, Maxwell I., Porter, Justin R., Ward, Michael D., Singh, Sukrit, Vithani, Neha, Meller, Artur, Mallimadugula, Upasana L., Kuhn, Catherine E., Borowsky, Jonathan H., Wiewiora, Rafal P., Hurley, Matthew F. D., Harbison, Aoife M, Fogarty, Carl A, Coffland, Joseph E., Fadda, Elisa, Voelz, Vincent A., Chodera, John D., Bowman, Gregory R.
Publicado 2021